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unit of orbital energy in the firefly output

Patrick SK Pang
pangsiukwong@gmail.com


What is the unit of orbital energies in the firefly output files? Hartree or eV?

For example:
         ------------
         EIGENVECTORS
         ------------

                     1          2          3          4          5
                 -20.5828    -1.3560    -0.7188    -0.5836    -0.5092
                    A1         A1         B2         A1         B1


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